Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine | Metabolomics,2012,8:323-334 |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 110.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 55037.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 784.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 34726.1 | nM | PubChem BioAssay data set | ||
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | 61652.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 1098.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 62286.5 | nM | PubChem BioAssay data set |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC321646 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.8276 | Intermediate Similarity | NPC100997 |
0.8214 | Intermediate Similarity | NPC307594 |
0.8 | Intermediate Similarity | NPC223315 |
0.7857 | Intermediate Similarity | NPC91093 |
0.7586 | Intermediate Similarity | NPC227197 |
0.7568 | Intermediate Similarity | NPC135077 |
0.7568 | Intermediate Similarity | NPC59570 |
0.7568 | Intermediate Similarity | NPC45270 |
0.7568 | Intermediate Similarity | NPC215118 |
0.7419 | Intermediate Similarity | NPC295442 |
0.7297 | Intermediate Similarity | NPC141634 |
0.7222 | Intermediate Similarity | NPC69245 |
0.7188 | Intermediate Similarity | NPC29561 |
0.7188 | Intermediate Similarity | NPC4962 |
0.7188 | Intermediate Similarity | NPC221192 |
0.7188 | Intermediate Similarity | NPC222997 |
0.7188 | Intermediate Similarity | NPC153439 |
0.7188 | Intermediate Similarity | NPC79887 |
0.7188 | Intermediate Similarity | NPC42403 |
0.7188 | Intermediate Similarity | NPC196434 |
0.7179 | Intermediate Similarity | NPC18397 |
0.7143 | Intermediate Similarity | NPC83723 |
0.7143 | Intermediate Similarity | NPC32603 |
0.7143 | Intermediate Similarity | NPC218357 |
0.7 | Intermediate Similarity | NPC66624 |
0.697 | Remote Similarity | NPC168982 |
0.6897 | Remote Similarity | NPC33928 |
0.6875 | Remote Similarity | NPC38859 |
0.6875 | Remote Similarity | NPC198118 |
0.6857 | Remote Similarity | NPC248190 |
0.6786 | Remote Similarity | NPC141986 |
0.6774 | Remote Similarity | NPC79591 |
0.6765 | Remote Similarity | NPC76608 |
0.6765 | Remote Similarity | NPC16578 |
0.6765 | Remote Similarity | NPC225318 |
0.6765 | Remote Similarity | NPC268596 |
0.6765 | Remote Similarity | NPC149101 |
0.6667 | Remote Similarity | NPC121215 |
0.6667 | Remote Similarity | NPC30338 |
0.6585 | Remote Similarity | NPC171783 |
0.6552 | Remote Similarity | NPC222945 |
0.6512 | Remote Similarity | NPC40249 |
0.6512 | Remote Similarity | NPC131981 |
0.6512 | Remote Similarity | NPC285814 |
0.6512 | Remote Similarity | NPC83187 |
0.6512 | Remote Similarity | NPC98246 |
0.6512 | Remote Similarity | NPC173996 |
0.6429 | Remote Similarity | NPC147212 |
0.641 | Remote Similarity | NPC3531 |
0.6364 | Remote Similarity | NPC294440 |
0.6364 | Remote Similarity | NPC287782 |
0.6333 | Remote Similarity | NPC185768 |
0.6286 | Remote Similarity | NPC228727 |
0.6222 | Remote Similarity | NPC293343 |
0.6222 | Remote Similarity | NPC247786 |
0.6222 | Remote Similarity | NPC258672 |
0.6176 | Remote Similarity | NPC158107 |
0.6136 | Remote Similarity | NPC236355 |
0.6136 | Remote Similarity | NPC14917 |
0.6136 | Remote Similarity | NPC4079 |
0.6136 | Remote Similarity | NPC8610 |
0.6136 | Remote Similarity | NPC262558 |
0.6111 | Remote Similarity | NPC94196 |
0.6098 | Remote Similarity | NPC325452 |
0.6098 | Remote Similarity | NPC248763 |
0.6071 | Remote Similarity | NPC211453 |
0.6053 | Remote Similarity | NPC301919 |
0.6053 | Remote Similarity | NPC328441 |
0.6047 | Remote Similarity | NPC55023 |
0.6 | Remote Similarity | NPC13105 |
0.6 | Remote Similarity | NPC20017 |
0.5957 | Remote Similarity | NPC274182 |
0.5957 | Remote Similarity | NPC236623 |
0.5957 | Remote Similarity | NPC27438 |
0.5938 | Remote Similarity | NPC304927 |
0.5938 | Remote Similarity | NPC289974 |
0.5938 | Remote Similarity | NPC129976 |
0.5938 | Remote Similarity | NPC172053 |
0.5909 | Remote Similarity | NPC314679 |
0.5897 | Remote Similarity | NPC14608 |
0.587 | Remote Similarity | NPC133178 |
0.5833 | Remote Similarity | NPC261991 |
0.5833 | Remote Similarity | NPC254713 |
0.5833 | Remote Similarity | NPC179831 |
0.5833 | Remote Similarity | NPC49151 |
0.5833 | Remote Similarity | NPC262505 |
0.5806 | Remote Similarity | NPC254524 |
0.5778 | Remote Similarity | NPC21844 |
0.5778 | Remote Similarity | NPC249754 |
0.575 | Remote Similarity | NPC38930 |
0.575 | Remote Similarity | NPC316546 |
0.5745 | Remote Similarity | NPC228776 |
0.5745 | Remote Similarity | NPC32351 |
0.5745 | Remote Similarity | NPC116906 |
0.5714 | Remote Similarity | NPC45283 |
0.5714 | Remote Similarity | NPC474141 |
0.5714 | Remote Similarity | NPC268564 |
0.5676 | Remote Similarity | NPC168714 |
0.5676 | Remote Similarity | NPC35371 |
0.5676 | Remote Similarity | NPC41007 |
0.5676 | Remote Similarity | NPC178643 |
0.5652 | Remote Similarity | NPC324793 |
0.5652 | Remote Similarity | NPC91962 |
0.5652 | Remote Similarity | NPC477878 |
0.5625 | Remote Similarity | NPC314084 |
0.5625 | Remote Similarity | NPC14312 |
0.5625 | Remote Similarity | NPC27501 |
0.56 | Remote Similarity | NPC288296 |
0.56 | Remote Similarity | NPC202850 |
0.56 | Remote Similarity | NPC319589 |
0.56 | Remote Similarity | NPC63396 |
0.56 | Remote Similarity | NPC53245 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC321646 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.6667 | Remote Similarity | NPD9447 | Approved |
0.6512 | Remote Similarity | NPD345 | Approved |
0.6512 | Remote Similarity | NPD343 | Approved |
0.6512 | Remote Similarity | NPD344 | Approved |
0.641 | Remote Similarity | NPD77 | Approved |
0.641 | Remote Similarity | NPD9450 | Approved |
0.6316 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5952 | Remote Similarity | NPD387 | Clinical (unspecified phase) |
0.5909 | Remote Similarity | NPD634 | Phase 3 |
0.56 | Remote Similarity | NPD615 | Clinical (unspecified phase) |
PubChem CID   | 7958 |
ChEMBL   | CHEMBL3182186 |
ZINC   |
Molecular Weight:   | 142.14 |
ALogP:   | 0.9516 |
MLogP:   | 2.34 |
XLogP:   | 2.845 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 10 |